SCHEMBL1985371

SCHEMBL1985371

COC(=O)N[C@H](C(=O)ON1C(=O)CCC1=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
TYR P14679 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 1/20 0.32
CA14 Q9ULX7 1/20 0.32
NR1I2 O75469 1/20 0.31
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
GAA P10253 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1985368 1.00 SMN1; SMN2 (0.35) SMN1; SMN2TSHRABL1BCRTYR
SCHEMBL18913816 0.88 SMN1; SMN2 (0.33) SMN1; SMN2KMT2A
SCHEMBL20149307 0.87 TYR (0.36) SMN1; SMN2TYRMEN1KMT2AGAA
SCHEMBL20608691 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TSHRTAS1R3TAS1R1MEN1
SCHEMBL20608692 0.86 SMN1; SMN2 (0.43) SMN1; SMN2TSHRTAS1R3TAS1R1MEN1
SCHEMBL25413295 0.86 DPP4 (0.35) SMN1; SMN2TSHRTAS1R3TAS1R1MEN1
SCHEMBL10308400 0.86 DPP4 (0.35) SMN1; SMN2TSHRTAS1R3TAS1R1MEN1
SCHEMBL8641759 0.86 TAS1R3 (0.33) SMN1; SMN2TSHRTYRTAS1R3TAS1R1
SCHEMBL7061312 0.85 PREP (0.44) MEN1KMT2A
SCHEMBL6159871 0.85 PREP (0.44) MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150322108-A1 CRYSTALLINE POLYMORPHS ABBVIE INC. 2015-11-12 US disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
US-20140171481-A1 SOLID COMPOSITIONS ABBOTT GMBH & CO. KG (DE) 2014-06-19 US disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2628481-A1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV AbbVie Bahamas Ltd. (BS) 2013-08-21 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 EP disclosed
US-20120258909-A1 Solid Compositions ABBOTT LABORATORIES (US) 2012-10-11 US disclosed
EP-2455376-A1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) Abbott Laboratories (US) 2012-05-23 EP disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885TSHR 4834/4885ABL1 158/4885
US-20150322108-A1 CRYSTALLINE POLYMORPHS HLA-C, PML, HLA-B SMN1; SMN2 4057/4885TSHR 4649/4885ABL1 2873/4885
US-20120258909-A1 Solid Compositions ABCG2, SLCO1B1, SLCO1B3 SMN1; SMN2 1074/4885TSHR 4547/4885ABL1 3351/4885
US-20140171481-A1 SOLID COMPOSITIONS ABCG2, SLCO1B1, SLCO1B3 SMN1; SMN2 1074/4885TSHR 4547/4885ABL1 3351/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885TSHR 4834/4885ABL1 158/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4141/4885TSHR 4834/4885ABL1 158/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.